(3S)-3-methyl-5-oxidanylidene-5-thiophen-2-yl-pentanoate

Systemtic Name: (3S)-3-methyl-5-oxidanylidene-5-thiophen-2-yl-pentanoate Openeye Name: (3S)-3-methyl-5-oxo-5-(2-thienyl)pentanoate CAS Name: (3S)-3-methyl-5-oxo-5-thiophen-2-ylpentanoate IUPAC Name: (3S)-3-methyl-5-oxo-5-thiophen-2-ylpentanoate Traditional Name: (3S)-5-keto-3-methyl-5-(2-thienyl)valerate Formula: C10H11O3S- MolecularWeight: 211.25754

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC=CS1)CC(=O)[O-]

Isomeric SMILES

C[C@@H](CC(=O)C1=CC=CS1)CC(=O)[O-]

InChI

InChI=1S/C10H12O3S/c1-7(6-10(12)13)5-8(11)9-3-2-4-14-9/h2-4,7H,5-6H2,1H3,(H,12,13)/p-1/t7-/m0/s1